N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H12ClFN4 — CID 110430592

IUPACN-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H12ClFN4/c1-7-5-10-13(17-7)18-8(2)19-14(10)20-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeySBLPXCZXQFOLTM-UHFFFAOYSA-N
MW290.73 g/mol
LogP4.11
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430592) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430592
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H12ClFN4/c1-7-5-10-13(17-7)18-8(2)19-14(10)20-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeySBLPXCZXQFOLTM-UHFFFAOYSA-N
XLogP4.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430592) is N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccc(F)c(Cl)c2)c2cc(C)[nH]c2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SBLPXCZXQFOLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c1-7-5-10-13(17-7)18-8(2)19-14(10)20-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 290.73 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).